methyl 2-(1,3-thiazol-2-ylmethylamino)acetate

C7H10N2O2S — CID 61286040

IUPACmethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
SMILESCOC(=O)CNCc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-11-7(10)5-8-4-6-9-2-3-12-6/h2-3,8H,4-5H2,1H3
InChIKeyILDXYMSFQLYFHE-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-(1,3-thiazol-2-ylmethylamino)acetate

methyl 2-(1,3-thiazol-2-ylmethylamino)acetate (PubChem CID 61286040) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
PubChem CID61286040
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
SMILESCOC(=O)CNCc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-11-7(10)5-8-4-6-9-2-3-12-6/h2-3,8H,4-5H2,1H3
InChIKeyILDXYMSFQLYFHE-UHFFFAOYSA-N
XLogP0.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 115000886
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-(1,3-thiazol-2-ylmethylamino)acetate (CID 61286040) is methyl 2-(1,3-thiazol-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-ylmethylamino)acetate is COC(=O)CNCc1nccs1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
The InChIKey is ILDXYMSFQLYFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-7(10)5-8-4-6-9-2-3-12-6/h2-3,8H,4-5H2,1H3.
What are the key properties of methyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate has a molecular weight of 186.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-ylmethylamino)acetate is sourced from PubChem (CID 61286040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).